Publications

Publications

Poster (15)

  1. 101.
    Poster
    Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Zn-ions in water: An ab initio molecular dynamics study. ICMR Workshop - Advances in oxide materials: Preparation, properties, performance, University of California, Santa Barbara, CA, USA (2014)
  2. 102.
    Poster
    Todorova, M.; Neugebauer, J.: Electrochemical Pourbaix phase diagrams from ab initio calculations. XLII CALPHAD Conference, San Sebastian, Spain (2013)
  3. 103.
    Poster
    Cheng, S.-T.; Todorova, M.; Neugebauer, J.: Interactions of oxidizing species with the Mg(0001) surface: The role of electrostatic contributions. Connecting electrochemical and water simulations: Status and future challenges, Ringberg, Germany (2013)
  4. 104.
    Poster
    Todorova, M.; Neugebauer, J.: Extending the concept of semiconductor defect chemistry to electrochemistry. Connecting electrochemical and water simulations: Status and future challenges, Ringberg, Germany (2013)
  5. 105.
    Poster
    Todorova, M.; Neugebauer, J.: Extending the concept of semiconductor defect chemistry to electrochemistry. Workshop "Connecting electrochemical and water simulations: Status and future challenges", San Sebastian, Spain (2013)
  6. 106.
    Poster
    Todorova, M.: On the accuracy of ion hydration enegies - An ab-initio study. Gordon Research Conference ''Corrosion - Aqueous'', Colby-Sawyer College, New London, NH, USA (2012)
  7. 107.
    Poster
    Bauer, K. D.; Todorova, M.; Hingerl, K.; Neugebauer, J.: Ab-initio Study on Liquid Metal Embrittlement in the Fe/Zn System. International Workshop on Ab initio Description of Iron and Steel (ADIS2012), Ringberg, Germany (2012)
  8. 108.
    Poster
    Izanlou, A.; Todorova, M.; Friák, M.; Palm, M.; Neugebauer, J.: Theoretical study of the environmental effect of H-containing gases on Fe–Al surfaces. International Meeting on Iron Aluminide Alloys, Lanzarote, Canary Island, Spain (2011)
  9. 109.
    Poster
    Todorova, M.; Valtiner, M.; Neugebauer, J.: Stabilisation of polar ZnO(0001) surfaces in dry and humid environment. FIESTAE - Frontiers in Interface Science: Theory and Experiment, Berlin, Germany (2011)
  10. 110.
    Poster
    Todorova, M.; Valtiner, M.; Grundmeier, G.; Neugebauer, J.: Temperature Stabilised surface reconstructions at polar ZnO(0001). Gordon Research Seminar ''Corrosion - Aqueous'', Colby-Sawyer College, New London, NH, USA (2010)
  11. 111.
    Poster
    Todorova, M.; Neugebauer, J.: Towards an ab initio description of corrosion. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)

Thesis - Master (1)

  1. 112.
    Thesis - Master
    Surendralal, S.: Automated Calculations for Charged Point Defects in Magnesium Oxide and Iron Oxides. Master, Ruhr-Universität Bochum, GermanyRuhr-Universität Bochum, Bochum, Germany (2016)
 
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